CID 14381111

6-chloro-2-methoxynicotinonitrile

Structural Information

Molecular Formula

C₇H₅ClN₂O

SMILES

COC1=C(C=CC(=N1)Cl)C#N

InChI

InChI=1S/C7H5ClN2O/c1-11-7-5(4-9)2-3-6(8)10-7/h2-3H,1H3

InChIKey

BXDPLINBPHQTHU-UHFFFAOYSA-N

Compound name

6-chloro-2-methoxypyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 127
Patents: 168.00903 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	169.016306	128.6
[M+Na]+	190.998248	141.0
[M-H]-	167.001754	130.9
[M+NH4]+	186.042853	147.0
[M+K]+	206.972188	137.4
[M+H-H2O]+	151.006290	116.8
[M+HCOO]-	213.007231	144.9
[M+CH3COO]-	227.022881	189.9
[M+Na-2H]-	188.983696	135.7
[M]+	168.00848142	126.8
[M]-	168.00957858	126.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe